N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide

C16H14ClN3O5 — CID 4932285

IUPACN'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCC(Oc1ccccc1Cl)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O5/c1-10(25-14-8-3-2-7-13(14)17)15(21)18-19-16(22)11-5-4-6-12(9-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)
InChIKeyBAYKNIIUAIWZMB-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.48
Rot. Bonds5

About N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide

N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide (PubChem CID 4932285) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
PubChem CID4932285
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC NameN'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCC(Oc1ccccc1Cl)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O5/c1-10(25-14-8-3-2-7-13(14)17)15(21)18-19-16(22)11-5-4-6-12(9-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)
InChIKeyBAYKNIIUAIWZMB-UHFFFAOYSA-N
XLogP2.48
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]propanamide
CID 4500086
N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9297964
N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4932160
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
N'-[2-(2-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4932128
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide (CID 4932285) is N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide is CC(Oc1ccccc1Cl)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is BAYKNIIUAIWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-10(25-14-8-3-2-7-13(14)17)15(21)18-19-16(22)11-5-4-6-12(9-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide?
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 363.76 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 4932285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).